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CHEMBRIDGE-ZINC02325771

 MMsINC code: MMs00707282
Type: Neutral
Formula: C16H15ClF2N2O3
SMILES:   Clc1cc(F)c(F)cc1NC(=O)NCCOc1ccccc1OC
InChI:   InChI=1/C16H15ClF2N2O3/c1-23-14-4-2-3-5-15(14)24-7-6-20-16(22)21-13-9-12(19)11(18)8-10(13)17/h2-5,8-9H,6-7H2,1H3,(H2,20,21,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.3473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.756 g/mol  logS: -4.64754  SlogP: 3.8273  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0616147  Sterimol/B1: 2.29758  Sterimol/B2: 3.29703  Sterimol/B3: 5.6672
  Sterimol/B4: 7.30997  Sterimol/L: 18.2259 
 
 Surface and Volume Properties
  Accessible surface: 600.763  Positive charged surface: 343.652  Negative charged surface: 257.111  Volume: 301.375
  Hydrophobic surface: 532.557  Hydrophilic surface: 68.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.